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Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules within the Double-Harmonic

Mark R Pederson1, Tunna Baruah1, Philip B Allen1

  • 1Center for Computational Materials Science, Code 6390, Naval Research Laboratory, Washington, DC 20375, Department of Electrical and Computer Engineering, Howard University, Washington, DC 20059, and Department of Physics and Astronomy, State University of New York, Stony Brook, New York 11794-3800.

Journal of Chemical Theory and Computation
|December 8, 2015
PubMed

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